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3IJQ
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BU of 3ijq by Molmil
Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Ala-D-Glu; productive substrate binding.
Descriptor: ALANINE, D-GLUTAMIC ACID, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C.
Deposit date:2009-08-04
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3IJL
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BU of 3ijl by Molmil
Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Pro-D-Glu; nonproductive substrate binding.
Descriptor: D-GLUTAMIC ACID, MAGNESIUM ION, Muconate cycloisomerase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C.
Deposit date:2009-08-04
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3JW7
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BU of 3jw7 by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ile-L-Tyr
Descriptor: Dipeptide Epimerase, GLYCEROL, ISOLEUCINE, ...
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C.
Deposit date:2009-09-18
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3JVA
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BU of 3jva by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583
Descriptor: Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Sakai, A, Imker, H, Gerlt, J.A, Almo, S.C.
Deposit date:2009-09-16
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3KUM
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BU of 3kum by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Arg-L-Tyr
Descriptor: ARGININE, Dipeptide Epimerase, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C.
Deposit date:2009-11-27
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3K1G
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BU of 3k1g by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ser-L-Tyr
Descriptor: Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C.
Deposit date:2009-09-27
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3JZU
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BU of 3jzu by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Leu-L-Tyr
Descriptor: Dipeptide Epimerase, LEUCINE, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C.
Deposit date:2009-09-24
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
4PFO
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BU of 4pfo by Molmil
Myosin VI motor domain in the Pi release state, space group P212121
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A.
Deposit date:2014-04-30
Release date:2015-04-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
4PJM
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BU of 4pjm by Molmil
Myosin VI motor domain in the Pi release state, space group P212121 - soaked with PO4 - located in the active site
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A.
Deposit date:2014-05-12
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
4PFP
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BU of 4pfp by Molmil
Myosin VI motor domain in the Pi release state (with Pi) space group P21
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A.
Deposit date:2014-04-30
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
4PK4
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BU of 4pk4 by Molmil
Myosin VI motor domain in the PPS state - from a Pi release state crystal, space group P212121 after long soaking with PO4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A.
Deposit date:2014-05-13
Release date:2015-04-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
3Q4D
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BU of 3q4d by Molmil
Crystal structure of dipeptide epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Ala
Descriptor: ALANINE, D-ALANINE, MAGNESIUM ION, ...
Authors:Lukk, T, Gerlt, J.A, Nair, S.K.
Deposit date:2010-12-23
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3Q45
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BU of 3q45 by Molmil
Crystal structure of Dipeptide Epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Val
Descriptor: D-ALANINE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase, ...
Authors:Lukk, T, Gerlt, J.A, Nair, S.K.
Deposit date:2010-12-22
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
7KY1
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BU of 7ky1 by Molmil
Molecular basis for control of antibiotic production by a bacterial hormones
Descriptor: TetR family transcriptional regulator
Authors:Bhukya, H, Fulop, V.
Deposit date:2020-12-06
Release date:2021-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5000335 Å)
Cite:Molecular basis for control of antibiotic production by a bacterial hormone.
Nature, 590, 2021
7JYA
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BU of 7jya by Molmil
Crystal structure of E3 ligase in complex with peptide
Descriptor: ASN-ARG-ARG-ARG-ARG-TRP-ARG-GLU-ARG-GLN-ARG, Protein fem-1 homolog C, UNKNOWN ATOM OR ION
Authors:Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC)
Deposit date:2020-08-30
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron.
Nat.Chem.Biol., 17, 2021
3R10
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BU of 3r10 by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg complex
Descriptor: Enzyme of enolase superfamily, GLYCEROL, MAGNESIUM ION, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-09
Release date:2011-04-20
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3R0U
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BU of 3r0u by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate and Mg complex
Descriptor: D(-)-TARTARIC ACID, Enzyme of enolase superfamily, GLYCEROL, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-09
Release date:2011-04-06
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3S2R
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BU of 3s2r by Molmil
ATChloroNEET (H87C mutant)
Descriptor: AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER
Authors:livnah, O, Eisenberg-Domovich, Y, nechushtai, R.
Deposit date:2011-05-17
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism.
To be Published
3R11
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BU of 3r11 by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg and Fumarate complex
Descriptor: Enzyme of enolase superfamily, FUMARIC ACID, GLYCEROL, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-09
Release date:2011-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3R1Z
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BU of 3r1z by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu
Descriptor: ALANINE, D-GLUTAMIC ACID, Enzyme of enolase superfamily, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-11
Release date:2011-04-20
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3R0K
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BU of 3r0k by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate bound, no Mg
Descriptor: D(-)-TARTARIC ACID, Enzyme of enolase superfamily, GLYCEROL, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-08
Release date:2011-03-30
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
2PV6
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BU of 2pv6 by Molmil
HIV-1 gp41 Membrane Proximal Ectodomain Region peptide in DPC micelle
Descriptor: Envelope glycoprotein
Authors:Sun, Z.-Y.J, Oh, K.J, Kim, M, Reinherz, E.L, Wagner, G.
Deposit date:2007-05-09
Release date:2008-03-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:HIV-1 broadly neutralizing antibody extracts its epitope from a kinked gp41 ectodomain region on the viral membrane
Immunity, 28, 2008
5JXU
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BU of 5jxu by Molmil
Structural basis for the catalytic activity of Thermomonospora curvata heme-containing DyP-type peroxidase.
Descriptor: Dyp-type peroxidase family, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ramyar, K.X, Carlson, E.A, Li, P, Geisbrecht, B.V.
Deposit date:2016-05-13
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Identification of Surface-Exposed Protein Radicals and A Substrate Oxidation Site in A-Class Dye-Decolorizing Peroxidase from Thermomonospora curvata.
ACS Catal, 6, 2016
7YC2
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BU of 7yc2 by Molmil
Crystal structure of auxiliary protein in complex with human protein
Descriptor: ORF, Protein zyg-11 homolog B
Authors:Gao, X, Cui, S.
Deposit date:2022-06-30
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:SARS-CoV-2 ORF10 hijacking ubiquitination machinery reveals potential unique drug targeting sites
Acta Pharm Sin B, 2024
8ACL
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BU of 8acl by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14
Descriptor: (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
Authors:Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P.
Deposit date:2022-07-05
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022

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